1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C23H25N3O3S2 — CID 46390059

IUPAC1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S2/c27-21(15-29-19-5-2-1-3-6-19)26-12-9-17(10-13-26)22(28)24-11-8-18-16-31-23(25-18)20-7-4-14-30-20/h1-7,14,16-17H,8-13,15H2,(H,24,28)
InChIKeyYPBYRQHZIKMIRQ-UHFFFAOYSA-N
MW455.61 g/mol
LogP3.85
Rot. Bonds8

About 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46390059) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID46390059
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC Name1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S2/c27-21(15-29-19-5-2-1-3-6-19)26-12-9-17(10-13-26)22(28)24-11-8-18-16-31-23(25-18)20-7-4-14-30-20/h1-7,14,16-17H,8-13,15H2,(H,24,28)
InChIKeyYPBYRQHZIKMIRQ-UHFFFAOYSA-N
XLogP3.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974853
1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390060
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
1-[2-(4-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973346
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973356
N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 87013934
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973347
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 46390059) is 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is YPBYRQHZIKMIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c27-21(15-29-19-5-2-1-3-6-19)26-12-9-17(10-13-26)22(28)24-11-8-18-16-31-23(25-18)20-7-4-14-30-20/h1-7,14,16-17H,8-13,15H2,(H,24,28).
What are the key properties of 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46390059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).